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A new method for identifying crystalline phases in X-ray diffraction data has been proposed, which is especially useful for the study of multiphase materials (more than eight - ten phases) with a relatively low content (less than 1 - 3…

Materials Science · Physics 2021-08-17 A. D. Skorbun , S. V. Gabielkov , I. V. Zhyganiuk

The diffraction pattern of a single non-periodic compact object, such as a molecule, is continuous and is proportional to the square modulus of the Fourier transform of that object. When arrayed in a crystal, the coherent sum of the…

Determining the atomic-level structure of crystalline solids is critically important across a wide array of scientific disciplines. The challenges associated with obtaining samples suitable for single-crystal diffraction, coupled with the…

We present a simplified model for dynamical diffraction of particles through a periodic thick perfect crystal based on repeated application of a coherent beam splitting unitary at coarse-grained lattice sites. By demanding translational…

Quantum Physics · Physics 2016-12-14 J. Nsofini , K. Ghofrani , D. Sarenac , D. G. Cory , D. A. Pushin

For a certain class of discrete metric spaces, we provide a formula for the density of states. This formula involves Dixmier traces and is proven using recent advances in operator theory. Various examples are given of metric spaces for…

Mathematical Physics · Physics 2022-08-17 N. Azamov , E. Hekkelman , E. McDonald , F. Sukochev , D. Zanin

We study the angular correlation function of speckle patterns that result from multiple scattering of photons by cold atomic clouds. We show that this correlation function becomes larger than the value given by Rayleigh law for classical…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 O. Assaf , E. Akkermans

Information on the lattice parameter of single crystals with known crystallographic structure allows for estimations of sample quality and composition. In many cases it is suffcient to determine one lattice parameter or the lattice spacing…

Materials Science · Physics 2016-07-08 A. Jesche , M. Fix , A. Kreyssig , W. R. Meier , P. C. Canfield

When an X-ray area detector based on a single crystalline material, for instance, a state of the art hybrid pixel detector, is illuminated from a point source by monochromatic radiation, a pattern of lines appears which overlays the…

Instrumentation and Detectors · Physics 2014-08-01 Christian Gollwitzer , Michael Krumrey

We derive from first principles the expression for the angular/wavelength distribution of the intensity diffracted by a blazed reflective grating, according to a scalar theory of diffraction. We considered the most common case of a groove…

Optics · Physics 2015-06-22 R. Casini , P. G. Nelson

Diffusion models have demonstrated exceptional performances in various fields of generative modeling, but suffer from slow sampling speed due to their iterative nature. While this issue is being addressed in continuous domains, discrete…

Machine Learning · Computer Science 2025-05-12 Satoshi Hayakawa , Yuhta Takida , Masaaki Imaizumi , Hiromi Wakaki , Yuki Mitsufuji

We report an extension of the source imaging method for analyzing three-dimensional sources from three-dimensional correlations. Our technique consists of expanding the correlation data and the underlying source function in spherical…

Nuclear Theory · Physics 2009-11-11 D. A. Brown , P. Danielewicz , A. Enokizono , M. Heffner , R. Soltz , S. Pratt

Coherent diffraction imaging is a high-resolution imaging technique whose potential can be greatly enhanced by applying the extrapolation method presented here. We demonstrate enhancement in resolution of a non-periodical object…

The robust and automated determination of crystal symmetry is of utmost importance in material characterization and analysis. Recent studies have shown that deep learning (DL) methods can effectively reveal the correlations between X-ray or…

Computational Physics · Physics 2020-05-27 Leslie Ching Ow Tiong , Jeongrae Kim , Sang Soo Han , Donghun Kim

Emerging coherent X-ray scattering patterns of single particles have shown dominant morphological signatures in agreement with predictions of the scattering model used for conventional protein crystallography. The key question is if and to…

Biomolecules · Quantitative Biology 2014-07-28 Aliakbar Jafarpour

We propose an approach to probe coherent spin-state dynamics of molecules using circularly polarized hard x-ray pulses. For the dynamically aligned nitric oxide molecules in a coherent superposition spin-orbit coupled electronic state that…

Optics · Physics 2024-01-02 Xiaoyu Mi , Ming Zhang , Zheng Li

We consider a method for obtaining information on polarization of astronomical objects radiation at diffraction limited resolution - differential speckle polarimetry. As an observable we propose to use averaged cross spectrum of two…

Instrumentation and Methods for Astrophysics · Physics 2015-06-12 Boris Safonov

When a light beam passes through a cascade of biaxial crystals with aligned optic axes, the resulting transverse intensity pattern consists of multiple concentric rings. We provide a simple formulation for the pattern formation for both…

Optics · Physics 2015-02-25 A. Turpin , Yu. V. Loiko. T. K. Kalkandjiev , J. Mompart

The refractive index of single microparticles is derived from precise measurement and rigorous modeling of the stiffness of a laser trap. We demonstrate the method for particles of four different materials with diameters from 1.6 to 5.2…

Machine learning algorithms based on artificial neural networks have proven very useful for a variety of classification problems. Here we apply them to a well-known problem in crystallography, namely the classification of X-ray diffraction…

Disordered Systems and Neural Networks · Physics 2019-06-19 Pascal Marc Vecsei , Kenny Choo , Johan Chang , Titus Neupert

Spectroscopic data, particularly diffraction data, contain detailed crystal and microstructure information and thus are crucial for materials discovery. Powder X-ray diffraction (XRD) patterns are greatly effective in identifying crystals.…

Materials Science · Physics 2025-02-18 Bin Cao , Yang Liu , Zinan Zheng , Ruifeng Tan , Jia Li , Tong-yi Zhang